V008-2453 Screening compound: N-(cyclopropylmethyl)-3-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

V008-2453 Screening compound: N-(cyclopropylmethyl)-3-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide
V008-2453 Screening compound: N-(cyclopropylmethyl)-3-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2453
N-(cyclopropylmethyl)-3-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V008-2453

Molecular Formula

C28H29F2N5O2 (C28 H29 F2 N5 O2)

Compound Name

N-(cyclopropylmethyl)-3-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide

IUPAC name

N-(cyclopropylmethyl)-3-fluoro-N-(2-{4-[6-(4-fluorophenyl)pyridazin-3-yl]-14-diazepan-1-yl}-2-oxoethyl)benzamide

SMILES

O=C(CN(CC1CC1)C(c1cccc(F)c1)=O)N(CCC1)CCN1c(cc1)nnc1-c(cc1)ccc1F

InChI

InChI=1S/C28H29F2N5O2/c29-23-9-7-21(8-10-23)25-11-12-26(32-31-25)33-13-2-14-34(16-15-33)27(36)19-35(18-20-5-6-20)28(37)22-3-1-4-24(30)17-22/h1,3-4,7-12,17,20H,2,5-6,13-16,18-19H2

InChI Key

QKGVUZCLKZUVLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19834383

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-4.05

Polar Surface Area

57.620

Acid Dissociation Constant (pKa)

22.59

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V008-2453 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V008-2453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2453?
Check Price and Availability of V008-2453, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-2453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2453
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V008-2453 available by request